Molecular Properties | |
SMILES: | N#Cc1cccc(NC(=O)Cc2cncc(N)c2)c1 |
MW: | 252.277 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 91.8 |
cLogP: | 1.71668 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
aniline
DAR-DIA-23aa0b97-4
0.631
DAR-DIA-23aa0b97-7
0.621
DAR-DIA-23aa0b97-8
0.559
DAR-DIA-23aa0b97-19
0.526
DAR-DIA-23aa0b97-18
0.506
DAR-DIA-23aa0b97-1
0.481
TRY-UNI-714a760b-23
0.455
DAR-DIA-23aa0b97-17
0.446
DAR-DIA-23aa0b97-5
0.431
WAR-XCH-eb7b662f-1
0.431
JOR-UNI-61e7b1d5-2
0.431
ANN-UNI-26382800-4
0.431
ANN-UNI-26382800-5
0.427
MAK-UNK-6ca90168-25
0.420
TRY-UNI-714a760b-24
0.397
DAR-DIA-23aa0b97-6
0.395
TRY-UNI-714a760b-19
0.378
SAD-SAT-24589cd1-8
0.378
SAD-SAT-24589cd1-5
0.375
ANN-UNI-26382800-6
0.373
RAL-THA-2d450e86-12
0.369
AAR-UNI-c25c2f1e-74
0.368
SAD-SAT-24589cd1-2
0.367
DAR-DIA-23aa0b97-16
0.365
MIC-UNK-2744a8e2-2
0.364
MIC-UNK-2744a8e2-11
0.362
MIC-UNK-2744a8e2-4
0.360
MAR-TRE-2fd8122f-57
0.359
MIC-UNK-1e397c67-1
0.359
MIC-UNK-2744a8e2-13
0.359
TRY-UNI-2eddb1ff-1
0.358
TRY-UNI-9f475305-10
0.357
DAR-DIA-23aa0b97-9
0.356
MIC-UNK-2744a8e2-10
0.354
TRY-UNI-714a760b-20
0.354
SAD-SAT-24589cd1-1
0.353
DAR-DIA-03336633-4
0.350
RAL-MED-2de63afb-12
0.350
RAL-MED-2de63afb-7
0.349
MIC-UNK-2744a8e2-8
0.347
MIC-UNK-2744a8e2-14
0.347
ADA-UCB-b1b30a00-3
0.345
DAR-DIA-23aa0b97-11
0.345
MIC-UNK-2744a8e2-12
0.340
MAR-TRE-92684b97-89
0.337
RAL-MED-2de63afb-8
0.337
RAL-MED-2de63afb-13
0.337
SAD-SAT-24589cd1-3
0.337
MIC-UNK-2744a8e2-7
0.337
NIM-UNI-310206f0-21
0.337
MIC-UNK-2744a8e2-5
0.333
BAR-COM-4e090d3a-11
0.333
MIC-UNK-2744a8e2-6
0.330
MIC-UNK-2744a8e2-3
0.330
AAR-UNI-c25c2f1e-102
0.330
ANT-OPE-6e66bf84-1
0.326
RAL-MED-2de63afb-3
0.326
RAL-MED-2de63afb-1
0.326
BAR-COM-4e090d3a-39
0.326
BEN-DND-61647d40-8
0.325
DAR-DIA-23aa0b97-13
0.325
MIC-UNK-2744a8e2-9
0.323
RAL-THA-2d450e86-17
0.322
DAR-DIA-23aa0b97-2
0.322
MAT-POS-cc05818f-1
0.322
RAL-THA-2d450e86-5
0.321
MIC-UNK-66895286-2
0.321
VLA-UNK-9a7dc93f-2
0.319
ANT-OPE-6e66bf84-2
0.319
SID-ELM-2583a2cd-5
0.315
PET-UNK-8922bd3c-1
0.314
RAL-THA-2d450e86-30
0.313
MAK-UNK-748f8b7a-6
0.312
SAD-SAT-24589cd1-6
0.312
NIM-UNI-310206f0-35
0.311
JOR-UNI-61e7b1d5-3
0.309
BEN-DND-61647d40-21
0.309
JOR-UNI-61e7b1d5-7
0.308
MAT-POS-c20a539d-5
0.308
PET-UNK-6314f867-2
0.308
BEN-DND-61647d40-5
0.307
MAK-UNK-30aad1f1-3
0.303
GAB-REV-70cc3ca5-19
0.303
BEN-DND-61647d40-6
0.303
TAT-ENA-80bfd3e5-10
0.302
MIC-UNK-66895286-4
0.301
TRY-UNI-bbd40bb4-1
0.300
TRY-UNI-1fd04853-6
0.300
NIM-UNI-310206f0-30
0.298
RAL-THA-2d450e86-35
0.298
BEN-DND-61647d40-7
0.298
MAK-UNK-6ca90168-23
0.298
DAN-MCD-02570321-1
0.297
ERI-UCB-ce40166b-12
0.297
EDG-MED-0da5ad92-8
0.296
TRY-UNI-2eddb1ff-2
0.296
SAD-SAT-24589cd1-10
0.296
MAK-UNK-30aad1f1-16
0.295
ALP-POS-95b75b4d-9
0.294
JOR-UNI-61e7b1d5-9
0.293